9-fluoro-8-chloro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid | 76425-54-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 9-fluoro-8-chloro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid
• 英文别名: 8-chloro-6,7-dihydro-9-fluoro-5-methyl-1-oxo-1H,5H,-benzo[ij]quinolizine-2-carboxylic acid；8-chloro-6,7-dihydro-9-fluoro-5-methyl-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid；8-chloro-7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
• CAS: 76425-54-2
• 化学式: C₁₄H₁₁ClFNO₃
• 分子量: 295.698
• InChiKey: GCNGWTDECZJQMI-UHFFFAOYSA-N

物化性质

• 熔点：
  288-291 °C
• 沸点：
  495.5±45.0 °C(Predicted)
• 密度：
  1.55±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  9-fluoro-8-chloro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 生成 sodium 8-chloro-6,7-dihydro-9-fluoro-5-methyl-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylate
  参考文献：
  名称：

  Antimicrobial 8,9-dihalobenzo[ij]quinolizine carboxylic acids

  摘要：

  化合物8-溴-6,7-二氢-9-氟-5-甲基-1-氧代-1H,5H-苯并[ij]喹啉-2-羧酸和8-氯-6,7-二氢-9-氟-5-甲基-1-氧代-1H,5H-苯并[ij]喹啉-2-羧酸被披露为有效的抗微生物药物。此外，还披露了这些酸的药用可接受的羧酸盐、酰氯、酯和烷基氨基烷基酯盐。

  公开号：

  US04524148A1
• 作为产物：
  描述：

  那氟沙星杂质1 生成 9-fluoro-8-chloro-5-methyl-6,7-dihydro-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid
  参考文献：
  名称：

  STERN, R. M.

  摘要：

  DOI：

文献信息

• Pyrroloquinoline and benzoquinolizine compounds and antimicrobial
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US04399134A1

  公开（公告）日：1983-08-16

  A benzoheterocyclic compound of the formula (I) ##STR1## wherein R.sup.1, R.sup.2, R.sup.3 and n are as defined, and its pharmaceutically acceptable salts, processes for preparing same and antibacterial composition containing the benzoheterocyclic compound as an active ingredient and a pharmaceutically acceptable carrier are disclosed.

  一种具有以下结构的苯并杂环化合物(I)##STR1##其中R.sup.1、R.sup.2、R.sup.3和n如定义，并且其药用盐、其制备方法以及含有该苯并杂环化合物作为活性成分和药用载体的抗菌组合物被揭示。
• Piperazinylbenzoheterocyclic compounds
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US04416884A1

  公开（公告）日：1983-11-22

  A piperazinylbenzoheterocyclic compound having antimicrobial properties and represented by the formula (I) ##STR1## wherein R.sup.1 represents hydrogen or lower alkyl; R.sup.2 represents hydrogen; R.sup.3 represents hydrogen, lower alkyl, lower alkanoyl, lower alkylsulfonyl, phenylalkyl, benzoyl, p-toluenesulfonyl, a group represented by the formula ##STR2## lower alkyl substituted with one to three of halogen and hydroxy, lower alkanoyl substituted with one to seven of halogen, phenylalkyl substituted with one to three of lower alkoxy on the phenyl ring, lower alkylsulfonyl substituted with one to three of halogen, lower alkenyl or lower alkynyl; R.sup.4 represents hydrogen or halogen, and n is an integer of 0 or 1, except that when n is 0, R.sup.1 and R.sup.2 together can represent the atoms necessary to form a cyclohexane ring, and when R.sup.3 represents lower alkyl substituted with one to three of halogen and hydroxy, lower alkanoyl substituted with one to seven of halogen, phenylalkyl substituted with one to three of lower alkoxy on the phenyl ring, lower alkylsulfonyl substituted with one to three of halogen, lower alkenyl or lower alkynyl, n is 1.

  一种具有抗微生物特性的哌嗪基苯并杂环化合物，其化学式为（I）其中R.sup.1代表氢或较低的烷基；R.sup.2代表氢；R.sup.3代表氢、较低的烷基、较低的烷酰基、较低的烷基磺酰基、苯基烷基、苯甲酰基、对甲苯磺酰基，由以下化学式表示的基团其中烷基上取代有一到三个卤素和羟基，烷酰基上取代有一到七个卤素，苯基烷基上取代有一到三个较低的烷氧基，烷基磺酰基上取代有一到三个卤素，较低的烯基或较低的炔基；R.sup.4代表氢或卤素，n为0或1的整数，但当n为0时，R.sup.1和R.sup.2可以一起代表形成环己烷环所需的原子，当R.sup.3代表烷基上取代有一到三个卤素和羟基，烷酰基上取代有一到七个卤素，苯基烷基上取代有一到三个较低的烷氧基，烷基磺酰基上取代有一到三个卤素，较低的烯基或较低的炔基时，n为1。
• Benzoheterocyclic compounds and pharmaceutical composition thereof
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US04552879A1

  公开（公告）日：1985-11-12

  A benzoheterocyclic compound of the formula (I) ##STR1## wherein R.sup.1, R.sup.2, R.sup.3 and n are as defined, and its pharmaceutically acceptable salts, processes for preparing same and antibacterial composition containing the benzoheterocyclic compound as an active ingredient and a pharmaceutically acceptable carrier are disclosed.

  公开了一种公式（I）的苯并杂环化合物##STR1##其中R.sup.1，R.sup.2，R.sup.3和n如定义所述，以及其药学上可接受的盐，制备该化合物的过程和含有该苯并杂环化合物作为活性成分和药学上可接受的载体的抗菌组合物。
• STERN, RICHARD M.
  作者：STERN, RICHARD M.

  DOI：——

  日期：——
• STERN, R. M.
  作者：STERN, R. M.

  DOI：——

  日期：——